[(R)-(4-chlorophenyl)-phenyl-methyl] N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate

Systemtic Name: [(R)-(4-chlorophenyl)-phenyl-methyl] N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 2-[(R)-(4-chlorophenyl)-phenyl-methyl]-3-[(1S)-1,5-dimethylhexyl]isothiourea CAS Name: N'-[(2S)-6-methylheptan-2-yl]carbamimidothioic acid [(R)-(4-chlorophenyl)-phenylmethyl] ester IUPAC Name: [(R)-(4-chlorophenyl)-phenylmethyl] N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 2-[(R)-(4-chlorophenyl)-phenyl-methyl]-3-[(1S)-1,5-dimethylhexyl]isothiourea Formula: C22H29ClN2S MolecularWeight: 388.99706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N=C(N)SC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](CCCC(C)C)N=C(N)S[C@H](C1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H29ClN2S/c1-16(2)8-7-9-17(3)25-22(24)26-21(18-10-5-4-6-11-18)19-12-14-20(23)15-13-19/h4-6,10-17,21H,7-9H2,1-3H3,(H2,24,25)/t17-,21+/m0/s1